2-Tert-butylpropanedioic acid

Base Information

Chemical Name:2-Tert-butylpropanedioic acid
CAS No.:4379-33-3
Molecular Formula:C7H12O4
Molecular Weight:160.17
Hs Code.:2917190090
NSC Number:51625
DSSTox Substance ID:DTXSID80287574
Wikidata:Q82023658
Mol file:4379-33-3.mol

Synonyms:2-tert-butylpropanedioic acid;2-(tert-Butyl)malonic acid;NSC51625;t-butyl malonic acid;20052-14-6;tert-butyl malonic acid;2-tert-butyl-malonic acid;Mono-tert-butyl malonic acid;4379-33-3;SCHEMBL897666;1,1-dimethylethyl malonic acid;DTXSID80287574;NOEPPNCDAJPLKL-UHFFFAOYSA-N;NSC-51625;AKOS006273999;InChI=1/C7H12O4/c1-7(2,3)4(5(8)9)6(10)11/h4H,1-3H3,(H,8,9)(H,10,11

Suppliers and Price of 2-Tert-butylpropanedioic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of 2-Tert-butylpropanedioic acid

Chemical Property:

Vapor Pressure:9.84E-05mmHg at 25°C
Refractive Index:1.473
Boiling Point:314.8°Cat760mmHg
Flash Point:158.4°C
PSA：74.60000
Density:1.197g/cm³
LogP:0.81790
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:160.07355886
Heavy Atom Count:11
Complexity:163

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C(C(=O)O)C(=O)O

Technology Process of 2-Tert-butylpropanedioic acid

There total 2 articles about 2-Tert-butylpropanedioic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 124-38-9,18923-20-1
carbon dioxide

: 13132-23-5
2,2-dimethylpropylmagnesium chloride

: 1070-83-3
tert-Butylacetic acid

: 4379-33-3
2-(tert-butyl)malonic acid

Guidance literature:: Kochen des Reaktionsgemisches mit Aethylmagnesiumbromid in Aether, erneutem Behandeln mit CO₂ bei -10grad bis +4grad und folgender Zersetzung verd. H₂SO₄;
DOI:10.1021/ja01873a501

Reference yield:

: 60-29-7,927820-24-4
diethyl ether

: neopentylmagnesium bromide

: 1070-83-3
tert-Butylacetic acid

: 4379-33-3
2-(tert-butyl)malonic acid

Guidance literature:: Kochen der Reaktionsloesung mit Aethylmagnesiumbromid und erneute Einwirkung von CO₂;
DOI:10.1021/ja01873a501

Reference yield: 68.0%

: 4379-33-3
2-(tert-butyl)malonic acid

: 1176938-29-6,581776-24-1
N,N'-di(2,6-diisopropylphenyl)formamidine

: 1,3-bis(2,6-diisopropylphenyl)-5-tert-butyl-6-oxo-6H-pyrimidinium-4-olate

Guidance literature:: With dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 6h; Schlenk technique; Inert atmosphere;
DOI:10.3390/molecules25163741